benzene;bromozinc(1+)

C6H5BrZn — CID 11138729

IUPACbenzene;bromozinc(1+)
SMILES[Zn+]Br.[c-]1ccccc1
InChIInChI=1S/C6H5.BrH.Zn/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+2/p-1
InChIKeyHMFWJMIDCMEJHO-UHFFFAOYSA-M
MW222.40 g/mol
LogP2.33
Rot. Bonds

About benzene;bromozinc(1+)

benzene;bromozinc(1+) (PubChem CID 11138729) has the molecular formula C6H5BrZn and a molecular weight of 222.40 g/mol. Its IUPAC name is benzene;bromozinc(1+).

Molecular Properties

Compound Namebenzene;bromozinc(1+)
PubChem CID11138729
Molecular FormulaC6H5BrZn
Molecular Weight222.40 g/mol
Exact Mass219.89
IUPAC Namebenzene;bromozinc(1+)
SMILES[Zn+]Br.[c-]1ccccc1
InChIInChI=1S/C6H5.BrH.Zn/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+2/p-1
InChIKeyHMFWJMIDCMEJHO-UHFFFAOYSA-M
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene;bromozinc(1+)?
The IUPAC name of benzene;bromozinc(1+) (CID 11138729) is benzene;bromozinc(1+).
What is the SMILES notation for benzene;bromozinc(1+)?
The canonical SMILES for benzene;bromozinc(1+) is [Zn+]Br.[c-]1ccccc1.
What is the InChIKey of benzene;bromozinc(1+)?
The InChIKey is HMFWJMIDCMEJHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.BrH.Zn/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+2/p-1.
What are the key properties of benzene;bromozinc(1+)?
benzene;bromozinc(1+) has a molecular weight of 222.40 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bromozinc(1+) is sourced from PubChem (CID 11138729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).